Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3290255 | 0.79 | — | — | |
| SCHEMBL11331559 | 0.78 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19TSHRGAA | |
| SCHEMBL9886620 | 0.77 | — | — | |
| SCHEMBL6725242 | 0.76 | CYP2D6 (0.35) | CYP1A2CYP2D6CYP2C19TSHRGAA | |
| SCHEMBL6725263 | 0.76 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C19TSHRGAA | |
| SCHEMBL1584536 | 0.76 | GAA (0.48) | CYP1A2CYP2D6CYP2C19TSHRGAA | |
| SCHEMBL2842241 | 0.75 | — | — | |
| SCHEMBL10546688 | 0.74 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19GAAALDH1A1 | |
| SCHEMBL3929481 | 0.74 | GAA (0.42) | CYP1A2CYP2D6CYP2C19TSHRGAA | |
| SCHEMBL2012116 | 0.74 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19GAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024094637-A1 | PROCESS FOR THE PREPARATION OF CYCLIC KETONES | ARXADA AG (CH) | 2024-05-10 | — | — | WO | disclosed |